(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone

Systemtic Name: (2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: (2-chloro-5-pyrrolidin-1-ylsulfonyl-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: [2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: (2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (2-chloro-5-pyrrolidinosulfonyl-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C21H23ClN2O3S2 MolecularWeight: 451.00192

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C21H23ClN2O3S2/c1-15-10-13-24(19-6-2-3-7-20(19)28-15)21(25)17-14-16(8-9-18(17)22)29(26,27)23-11-4-5-12-23/h2-3,6-9,14-15H,4-5,10-13H2,1H3